[gmx-users] grompp does not find atomtype

[Dawid das]

So with what diagnostic shall I provide you with?


2014-06-27 13:50 GMT+02:00 Justin Lemkul <jalemkul at vt.edu>:

>
>
> On 6/27/14, 2:02 AM, Dawid das wrote:
>
>> 2014-06-27 1:54 GMT+02:00 Justin Lemkul <jalemkul at vt.edu>:
>>
>>  If the force field you're using uses U-B angles, you should stick to
>>> that.
>>>   If you don't need the cross-term, just specify ub0 and kub as zero,
>>> while
>>> leaving sensible values for theta0 and ktheta.
>>>
>>
>>
>>
>>
>> Well so I did and I still get this error...
>>
>>
> Then the error is coming from somewhere else, perhaps directly in the .top
> itself, but given that you've posted nothing diagnostic after having fixed
> ffbonded.itp, there's nothing anyone can possibly suggest.
>
>
> -Justin
>
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> Justin A. Lemkul, Ph.D.
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